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1823235-14-8

1823235-14-8 | 8-Quinolinecarboxylic acid, 6-bromo-, ethyl ester

CAS No: 1823235-14-8 Catalog No: AG0023ML MDL No:

Product Description

Catalog Number:
AG0023ML
Chemical Name:
8-Quinolinecarboxylic acid, 6-bromo-, ethyl ester
CAS Number:
1823235-14-8
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
IUPAC Name:
ethyl 6-bromoquinoline-8-carboxylate
InChI:
InChI=1S/C12H10BrNO2/c1-2-16-12(15)10-7-9(13)6-8-4-3-5-14-11(8)10/h3-7H,2H2,1H3
InChI Key:
YVFPOHSNQSEFQK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)cc2c1nccc2

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.989g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.121g/mol
Monoisotopic Mass:
278.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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